3-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid

C10H15N3O2 — CID 103552379

IUPAC3-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
SMILESCc1nc(C2CCC(C(=O)O)C2)n(C)n1
InChIInChI=1S/C10H15N3O2/c1-6-11-9(13(2)12-6)7-3-4-8(5-7)10(14)15/h7-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyHKCXLTMAHQFDSJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.09
Rot. Bonds2

About 3-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid

3-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid (PubChem CID 103552379) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
PubChem CID103552379
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
SMILESCc1nc(C2CCC(C(=O)O)C2)n(C)n1
InChIInChI=1S/C10H15N3O2/c1-6-11-9(13(2)12-6)7-3-4-8(5-7)10(14)15/h7-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyHKCXLTMAHQFDSJ-UHFFFAOYSA-N
XLogP1.09
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid (CID 103552379) is 3-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid is Cc1nc(C2CCC(C(=O)O)C2)n(C)n1.
What is the InChIKey of 3-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid?
The InChIKey is HKCXLTMAHQFDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-11-9(13(2)12-6)7-3-4-8(5-7)10(14)15/h7-8H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid?
3-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103552379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).